Crystallography Open Database

Information card for entry 7104728

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Structure parameters

Common name	bis(dipentafluorophenylboryl)-naphthalene
Chemical name	bis(dipentafluorophenylboryl)-naphthalene
Formula	C34 H6 B2 F20
Calculated formula	C34 H6 B2 F20
SMILES	c12c(cccc1cccc2B(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)B(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Metal-free hydrogen activation and hydrogenation of imines by 1,8-bis(dipentafluorophenylboryl)naphthalene.
Authors of publication	Jiang, Chunfang; Blacque, Olivier; Berke, Heinz
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	37
Pages of publication	5518 - 5520
a	10.5171 ± 0.0004 Å
b	11.9691 ± 0.0004 Å
c	14.0547 ± 0.0005 Å
α	69.24 ± 0.003°
β	84.669 ± 0.003°
γ	66.772 ± 0.004°
Cell volume	1517.98 ± 0.11 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1083
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoK\α
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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